CID 9643

1,2-dichlorohexafluorocyclobutane

Structural Information

Molecular Formula
C4Cl2F6
SMILES
C1(C(C(C1(F)Cl)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
InChIKey
LMHAGAHDHRQIMB-UHFFFAOYSA-N
Compound name
1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

39
References

1425
Patents

231.92813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.93541 118.5
[M+Na]+ 254.91735 132.9
[M-H]- 230.92085 116.7
[M+NH4]+ 249.96195 139.5
[M+K]+ 270.89129 129.6
[M+H-H2O]+ 214.92539 112.7
[M+HCOO]- 276.92633 126.9
[M+CH3COO]- 290.94198 190.8
[M+Na-2H]- 252.90280 125.7
[M]+ 231.92758 122.9
[M]- 231.92868 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe